1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone

C18H16N2OS — CID 14004017

IUPAC1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCc2ncc3ccccc3c21
InChIInChI=1S/C18H16N2OS/c21-17(11-14-6-4-10-22-14)20-9-3-8-16-18(20)15-7-2-1-5-13(15)12-19-16/h1-2,4-7,10,12H,3,8-9,11H2
InChIKeyBUXAMSYBRPOCMA-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.82
Rot. Bonds2

About 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone

1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 14004017) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone
PubChem CID14004017
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCc2ncc3ccccc3c21
InChIInChI=1S/C18H16N2OS/c21-17(11-14-6-4-10-22-14)20-9-3-8-16-18(20)15-7-2-1-5-13(15)12-19-16/h1-2,4-7,10,12H,3,8-9,11H2
InChIKeyBUXAMSYBRPOCMA-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophen-2-ylethanone
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1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone (CID 14004017) is 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCc2ncc3ccccc3c21.
What is the InChIKey of 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is BUXAMSYBRPOCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-17(11-14-6-4-10-22-14)20-9-3-8-16-18(20)15-7-2-1-5-13(15)12-19-16/h1-2,4-7,10,12H,3,8-9,11H2.
What are the key properties of 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone?
1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 308.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-benzo[h][1,5]naphthyridin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 14004017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).